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Name | Orexin receptor type 1 |
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Species | Homo sapiens (Human) |
Gene | HCRTR1 |
Synonym | hypocretin receptor 1 OX1R Ox1-R OX1 receptor Ox-1-R [ Show all ] |
Disease | Insomnia Sleep disorders; Insomnia; Substance dependence Sleep disorders; Insomnia |
Length | 425 |
Amino acid sequence | MEPSATPGAQMGVPPGSREPSPVPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFVVALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGHALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAIMVPQAAVMECSSVLPELANRTRLFSVCDERWADDLYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSDQLGDLEQGLSGEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPCGSLKAPSPRSSASHKSLSLQSRCSISKISEHVVLTSVTTVLP |
UniProt | O43613 |
Protein Data Bank | 4zjc, 4zj8 |
GPCR-HGmod model | O43613 |
3D structure model | This structure is from PDB ID 4zjc. |
BioLiP | BL0339163, BL0339164 |
Therapeutic Target Database | T73482 |
ChEMBL | CHEMBL5113 |
IUPHAR | 321 |
DrugBank | BE0005864 |
Name | CHEMBL182269 |
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Molecular formula | C24H25N3O3 |
IUPAC name | 1-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-3-(2-pyridin-3-ylphenyl)urea |
Molecular weight | 403.482 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.3 |
Synonyms | 1-((4S,5S)-2,2-Dimethyl-4-phenyl-[1,3]dioxan-5-yl)-3-(2-pyridin-3-yl-phenyl)-urea AJAHHNBMOVHVLZ-VXKWHMMOSA-N SCHEMBL6344938 |
Inchi Key | AJAHHNBMOVHVLZ-VXKWHMMOSA-N |
Inchi ID | InChI=1S/C24H25N3O3/c1-24(2)29-16-21(22(30-24)17-9-4-3-5-10-17)27-23(28)26-20-13-7-6-12-19(20)18-11-8-14-25-15-18/h3-15,21-22H,16H2,1-2H3,(H2,26,27,28)/t21-,22-/m0/s1 |
PubChem CID | 44393285 |
ChEMBL | CHEMBL182269 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | >5011.87 nM | PMID15261275 | ChEMBL |
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